3-(1-oxidanyl-3-oxidanylidene-propyl)hexadecan-2-yl ethanoate

Systemtic Name: 3-(1-oxidanyl-3-oxidanylidene-propyl)hexadecan-2-yl ethanoate Openeye Name: [2-(1-hydroxy-3-oxo-propyl)-1-methyl-pentadecyl] acetate CAS Name: acetic acid 3-(1-hydroxy-3-oxopropyl)hexadecan-2-yl ester IUPAC Name: 3-(1-hydroxy-3-oxopropyl)hexadecan-2-yl acetate Traditional Name: acetic acid [2-(1-hydroxy-3-keto-propyl)-1-methyl-pentadecyl] ester Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)OC(=O)C)C(CC=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C(C)OC(=O)C)C(CC=O)O

InChI

InChI=1S/C21H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(21(24)16-17-22)18(2)25-19(3)23/h17-18,20-21,24H,4-16H2,1-3H3